acetylene;(2Z,4E)-1-ethyliminohexa-2,4-dien-2-ol

C10H15NO — CID 142957684

IUPACacetylene;(2Z,4E)-1-ethyliminohexa-2,4-dien-2-ol
SMILESC#C.C/C=C/C=C(O)/C=N/CC
InChIInChI=1S/C8H13NO.C2H2/c1-3-5-6-8(10)7-9-4-2;1-2/h3,5-7,10H,4H2,1-2H3;1-2H/b5-3+,8-6-,9-7+;
InChIKeyOEPUQVBTWIYXJQ-AOLSXWFJSA-N
MW165.24 g/mol
LogP2.34
Rot. Bonds3

About acetylene;(2Z,4E)-1-ethyliminohexa-2,4-dien-2-ol

acetylene;(2Z,4E)-1-ethyliminohexa-2,4-dien-2-ol (PubChem CID 142957684) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is acetylene;(2Z,4E)-1-ethyliminohexa-2,4-dien-2-ol.

Molecular Properties

Compound Nameacetylene;(2Z,4E)-1-ethyliminohexa-2,4-dien-2-ol
PubChem CID142957684
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Nameacetylene;(2Z,4E)-1-ethyliminohexa-2,4-dien-2-ol
SMILESC#C.C/C=C/C=C(O)/C=N/CC
InChIInChI=1S/C8H13NO.C2H2/c1-3-5-6-8(10)7-9-4-2;1-2/h3,5-7,10H,4H2,1-2H3;1-2H/b5-3+,8-6-,9-7+;
InChIKeyOEPUQVBTWIYXJQ-AOLSXWFJSA-N
XLogP2.34
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(2E)-1-methyliminopenta-2,4-dien-2-ol
CID 88877966
(2E)-1-ethyliminopenta-2,4-dien-2-ol
CID 126690285
(2E,4Z)-5-methyl-1-methyliminohepta-2,4,6-trien-2-ol
CID 132109828
(2Z,4E)-1-ethyliminohexa-2,4-dien-2-ol
CID 142957685
(E)-1-methyliminobut-2-en-2-ol
CID 143572355
(2E,4E)-1-ethyliminohexa-2,4-dien-2-ol
CID 143895054
ethane;(E)-1-ethyliminobut-2-en-2-ol
CID 170789162
ethane;(2E)-1-methyliminopenta-2,4-dien-2-ol
CID 178709248
(E)-1-ethyliminobut-2-en-2-ol
CID 170789163

Frequently Asked Questions

What is the IUPAC name of acetylene;(2Z,4E)-1-ethyliminohexa-2,4-dien-2-ol?
The IUPAC name of acetylene;(2Z,4E)-1-ethyliminohexa-2,4-dien-2-ol (CID 142957684) is acetylene;(2Z,4E)-1-ethyliminohexa-2,4-dien-2-ol.
What is the SMILES notation for acetylene;(2Z,4E)-1-ethyliminohexa-2,4-dien-2-ol?
The canonical SMILES for acetylene;(2Z,4E)-1-ethyliminohexa-2,4-dien-2-ol is C#C.C/C=C/C=C(O)/C=N/CC.
What is the InChIKey of acetylene;(2Z,4E)-1-ethyliminohexa-2,4-dien-2-ol?
The InChIKey is OEPUQVBTWIYXJQ-AOLSXWFJSA-N. The full InChI is InChI=1S/C8H13NO.C2H2/c1-3-5-6-8(10)7-9-4-2;1-2/h3,5-7,10H,4H2,1-2H3;1-2H/b5-3+,8-6-,9-7+;.
What are the key properties of acetylene;(2Z,4E)-1-ethyliminohexa-2,4-dien-2-ol?
acetylene;(2Z,4E)-1-ethyliminohexa-2,4-dien-2-ol has a molecular weight of 165.24 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;(2Z,4E)-1-ethyliminohexa-2,4-dien-2-ol is sourced from PubChem (CID 142957684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).